1-(4-chlorophenyl)-3-[4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[4-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[4-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea Formula: C21H16ClN5S2 MolecularWeight: 437.96824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN5S2/c22-15-8-12-17(13-9-15)24-20(28)23-16-10-6-14(7-11-16)19-25-26-21(29)27(19)18-4-2-1-3-5-18/h1-13H,(H,26,29)(H2,23,24,28)